{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 4.03330184519291 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.03330184519291e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 2.82546795756588 2.54654461662526 2.55755417145904 2.53985678295647 2.60022265849337 2.55328287426579 2.54159995997169 2.61116212787216 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.82546795756588e-10 2.54654461662526e-10 2.55755417145904e-10 2.53985678295647e-10 2.60022265849337e-10 2.55328287426579e-10 2.54159995997169e-10 2.61116212787216e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012816572767095477 0.5472514403967178 0.5506504000441077 0.5685924062291938 0.5619802864227271 0.5353018826108378 0.5620123171008705 0.5749150944244822 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01281657276709548 0.5472514403967178 0.5506504000441077 0.5685924062291938 0.5619802864227271 0.5353018826108378 0.5620123171008705 0.5749150944244822 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }